2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene

C35H36Br2O — CID 22937086

IUPAC2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene
SMILESCCCCCCCCCCOc1ccc(C2(c3ccccc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C35H36Br2O/c1-2-3-4-5-6-7-8-12-23-38-30-19-15-27(16-20-30)35(26-13-10-9-11-14-26)33-24-28(36)17-21-31(33)32-22-18-29(37)25-34(32)35/h9-11,13-22,24-25H,2-8,12,23H2,1H3
InChIKeyRTKDYAWFIVCDKT-UHFFFAOYSA-N
MW632.48 g/mol
LogP11.09
Rot. Bonds12

About 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene

2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene (PubChem CID 22937086) has the molecular formula C35H36Br2O and a molecular weight of 632.48 g/mol. Its IUPAC name is 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene.

Molecular Properties

Compound Name2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene
PubChem CID22937086
Molecular FormulaC35H36Br2O
Molecular Weight632.48 g/mol
Exact Mass630.11
IUPAC Name2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene
SMILESCCCCCCCCCCOc1ccc(C2(c3ccccc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C35H36Br2O/c1-2-3-4-5-6-7-8-12-23-38-30-19-15-27(16-20-30)35(26-13-10-9-11-14-26)33-24-28(36)17-21-31(33)32-22-18-29(37)25-34(32)35/h9-11,13-22,24-25H,2-8,12,23H2,1H3
InChIKeyRTKDYAWFIVCDKT-UHFFFAOYSA-N
XLogP11.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.48
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2'-Bromospiro[fluorene-9,9'-xanthene]
CID 90153653
4-Bromospiro[fluorene-9,9'-xanthene]
CID 90153673
5-Bromo-1-(fluoromethyl)-3-methyl-2-(4-phenylmethoxyphenyl)benzene
CID 177853273
2-Bromospiro[fluorene-9,9'-xanthene]
CID 11546047
6-Bromo-1-(6-bromo-2-ethoxynaphthalen-1-yl)-2-ethoxynaphthalene
CID 12118283
6,6'-Dibromo-2,2'-bis(hexyloxy)-1,1'-binaphthalene
CID 15265576
2,7-Dibromo-9,9-bis(4-sulfonylbutoxyphenyl)fluorene
CID 25270921
9,9-Bis[4-(3,7-dimethyloctoxy)phenyl]fluorene
CID 85984571
2,7-Dibromo-3',6'-dioctoxyspiro[fluorene-9,9'-xanthene]
CID 101383164
2,6-Dibromo-4,4-bis(4-((2-ethylhexyl)oxy)phenyl)-4h-cyclopenta[def]phenanthrene
CID 102028757
2,7-Dibromo-4-(octyloxy)-9,9-diphenyl-fluorene
CID 102228343
2,7-Dibromo-9-(4-(octyloxy)phenyl)-fluorene
CID 129825439

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene?
The IUPAC name of 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene (CID 22937086) is 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene.
What is the SMILES notation for 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene?
The canonical SMILES for 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene is CCCCCCCCCCOc1ccc(C2(c3ccccc3)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene?
The InChIKey is RTKDYAWFIVCDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36Br2O/c1-2-3-4-5-6-7-8-12-23-38-30-19-15-27(16-20-30)35(26-13-10-9-11-14-26)33-24-28(36)17-21-31(33)32-22-18-29(37)25-34(32)35/h9-11,13-22,24-25H,2-8,12,23H2,1H3.
What are the key properties of 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene?
2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene has a molecular weight of 632.48 g/mol, XLogP of 11.09, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-(4-decoxyphenyl)-9-phenylfluorene is sourced from PubChem (CID 22937086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).